[5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol

C14H15F2NOS — CID 90418631

IUPAC[5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1ccc(-c2nsc(C(C)(F)F)c2CO)cc1
InChIInChI=1S/C14H15F2NOS/c1-3-9-4-6-10(7-5-9)12-11(8-18)13(19-17-12)14(2,15)16/h4-7,18H,3,8H2,1-2H3
InChIKeyYPEIYGIMUOKJCP-UHFFFAOYSA-N
MW283.34 g/mol
LogP3.98
Rot. Bonds4

About [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol

[5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol (PubChem CID 90418631) has the molecular formula C14H15F2NOS and a molecular weight of 283.34 g/mol. Its IUPAC name is [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol
PubChem CID90418631
Molecular FormulaC14H15F2NOS
Molecular Weight283.34 g/mol
Exact Mass283.08
IUPAC Name[5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol
SMILESCCc1ccc(-c2nsc(C(C)(F)F)c2CO)cc1
InChIInChI=1S/C14H15F2NOS/c1-3-9-4-6-10(7-5-9)12-11(8-18)13(19-17-12)14(2,15)16/h4-7,18H,3,8H2,1-2H3
InChIKeyYPEIYGIMUOKJCP-UHFFFAOYSA-N
XLogP3.98
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol with MolForge

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Related Compounds

(4-Fluorophenyl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 119094110
[5-(Hydroxymethyl)-3-phenyl-1,2-thiazol-4-yl]methanol
CID 13435381
[3-(4-Trifluoromethyl-phenyl)-isothiazol-5-yl]-methanol
CID 59212200
2-(3-(4-Fluorophenyl)isothiazol-5-yl)propan-2-ol
CID 68328241
(3-(4-Chlorophenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90417615
[5-(2-Fluoro-4-methylphenyl)-3-methyl-1,2-thiazol-4-yl]methanol
CID 90418044
(3-(2-Fluoro-4-methylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418057
(5-(Trifluoromethyl)-3-(4-trifluoromethylphenyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418158
[3-(4-Ethylphenyl)-5-(pentafluoroethyl)-1,2-thiazol-4-yl]methyl methanesulfonate
CID 90418228
(3-(3-Fluoro-4-methylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methyl methanesulfonate
CID 90418299
[3-[4-(1-Fluoroethyl)phenyl]-5-(trifluoromethyl)-1,2-thiazol-4-yl]methanol
CID 90418302
(3-(4-Ethylphenyl)-5-(trifluoromethyl)isothiazol-4-yl)methanol
CID 90418304

Frequently Asked Questions

What is the IUPAC name of [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol?
The IUPAC name of [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol (CID 90418631) is [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol.
What is the SMILES notation for [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol?
The canonical SMILES for [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol is CCc1ccc(-c2nsc(C(C)(F)F)c2CO)cc1.
What is the InChIKey of [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol?
The InChIKey is YPEIYGIMUOKJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NOS/c1-3-9-4-6-10(7-5-9)12-11(8-18)13(19-17-12)14(2,15)16/h4-7,18H,3,8H2,1-2H3.
What are the key properties of [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol?
[5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol has a molecular weight of 283.34 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-difluoroethyl)-3-(4-ethylphenyl)-1,2-thiazol-4-yl]methanol is sourced from PubChem (CID 90418631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).